tert-butyl 4-[[(5-chloranylpyridin-2-yl)-[3-(trifluoromethyl)phenyl]carbonyl-amino]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(5-chloranylpyridin-2-yl)-[3-(trifluoromethyl)phenyl]carbonyl-amino]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(5-chloro-2-pyridyl)-[3-(trifluoromethyl)benzoyl]amino]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-(5-chloro-2-pyridinyl)-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]hydrazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(5-chloropyridin-2-yl)-[3-(trifluoromethyl)benzoyl]amino]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[(5-chloro-2-pyridyl)-[3-(trifluoromethyl)benzoyl]amino]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H25ClF3N5O4 MolecularWeight: 527.92391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NN(C2=NC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NN(C2=NC=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H25ClF3N5O4/c1-22(2,3)36-21(35)31-11-9-30(10-12-31)20(34)29-32(18-8-7-17(24)14-28-18)19(33)15-5-4-6-16(13-15)23(25,26)27/h4-8,13-14H,9-12H2,1-3H3,(H,29,34)